Reaction Details
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Target
Enoyl-ACP reductase
Ligand
BDBM25415
Substrate
BDBM8737
Meas. Tech.
PfENR Enzymatic Inhibition Assay
pH
7.9±n/a
Temperature
298.15±n/a K
IC50
410±100 nM
Citation
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Target
Name:
Enoyl-ACP reductase
Synonyms:
Enoyl-ACP Reductase (PfENR) | Enoyl-ACP reductase
Type:
Enzyme
Mol. Mass.:
49844.02
Organism:
Plasmodium falciparum
Description:
Q9BJJ9
Residue:
432
Sequence:
MNKISQRLLFLFLHFYTTVCFIQNNTQKTFHNVLQNEQIRGKEKAFYRKEKRENIFIGNKMKHVHNMNNTHNNNHYMEKEEQDASNINKIKEENKNEDICFIAGIGDTNGYGWGIAKELSKRNVKIIFGIWPPVYNIFMKNYKNGKFDNDMIIDKDKKMNILDMLPFDASFDTANDIDEETKNNKRYNMLQNYTIEDVANLIHQKYGKINMLVHSLANAKEVQKDLLNTSRKGYLDALSKSSYSLISLCKYFVNIMKPQSSIISLTYHASQKVVPGYGGGMSSAKAALESDTRVLAYHLGRNYNIRINTISAGPLKSRAATAINKLNNTYENNTNQNKNRNRHDVHNIMNNSGEKEEKKISASQNYTFIDYAIEYSEKYAPLRQKLLSTDIGSVASFLLSRESRAITGQTIYVDNGLNIMFLPDDIYRNENE
Inhibitor
Name:
BDBM25415
Synonyms:
3-chloro-4-[2-hydroxy-4-(2-methylphenyl)phenoxy]benzonitrile | Triclosan derivative, 16
Type:
Small organic molecule
Emp. Form.:
C20H14ClNO2
Mol. Mass.:
335.784
SMILES:
Cc1ccccc1-c1ccc(Oc2ccc(cc2Cl)C#N)c(O)c1
Substrate
Name:
BDBM8737
Synonyms:
2-Butenoyl-CoA | But-2-enoyl-CoA | Crotonoyl-CoA | trans-butyr-2-enoyl-CoA | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2E)-but-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C25H40N7O17P3S
Mol. Mass.:
835.608
SMILES:
C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 |r|